1,3-benzoxazol-2-ylmethyl 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate

Systemtic Name: 1,3-benzoxazol-2-ylmethyl 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate Openeye Name: 1,3-benzoxazol-2-ylmethyl 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate CAS Name: 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzoic acid 1,3-benzoxazol-2-ylmethyl ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C26H26N2O5S/c1-26(2,3)20-12-14-21(15-13-20)34(30,31)27-16-18-8-10-19(11-9-18)25(29)32-17-24-28-22-6-4-5-7-23(22)33-24/h4-15,27H,16-17H2,1-3H3